(E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine

C16H23N — CID 89029192

IUPAC(E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine
SMILESC=C/C(=C\CCC)C(CNC)c1ccccc1
InChIInChI=1S/C16H23N/c1-4-6-10-14(5-2)16(13-17-3)15-11-8-7-9-12-15/h5,7-12,16-17H,2,4,6,13H2,1,3H3/b14-10+
InChIKeyBWRRSHCNFQFAPG-GXDHUFHOSA-N
MW229.37 g/mol
LogP3.90
Rot. Bonds7

About (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine

(E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine (PubChem CID 89029192) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine
PubChem CID89029192
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine
SMILESC=C/C(=C\CCC)C(CNC)c1ccccc1
InChIInChI=1S/C16H23N/c1-4-6-10-14(5-2)16(13-17-3)15-11-8-7-9-12-15/h5,7-12,16-17H,2,4,6,13H2,1,3H3/b14-10+
InChIKeyBWRRSHCNFQFAPG-GXDHUFHOSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
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(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine
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(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine
CID 102298348
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843
1-(methylamino)-4-phenylpentan-2-ol
CID 62773320
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
ethyl-[3-(methylamino)-2-phenylpropyl]tin(2+)
CID 19359485
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine?
The IUPAC name of (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine (CID 89029192) is (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine.
What is the SMILES notation for (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine?
The canonical SMILES for (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine is C=C/C(=C\CCC)C(CNC)c1ccccc1.
What is the InChIKey of (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine?
The InChIKey is BWRRSHCNFQFAPG-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H23N/c1-4-6-10-14(5-2)16(13-17-3)15-11-8-7-9-12-15/h5,7-12,16-17H,2,4,6,13H2,1,3H3/b14-10+.
What are the key properties of (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine?
(E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine is sourced from PubChem (CID 89029192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).